2-{[2-chloro-4-(trifluoromethyl)phenyl]oxy}-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-{[(phenylmethyl)oxy]methyl}ethyl]pyridine-3-carboxamide | 1239355-33-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-{[2-chloro-4-(trifluoromethyl)phenyl]oxy}-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-{[(phenylmethyl)oxy]methyl}ethyl]pyridine-3-carboxamide
• 英文别名: 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2S)-1-(4-methylpiperazin-1-yl)-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
• CAS: 1239355-33-9
• 化学式: C₂₈H₃₀ClF₃N₄O₃
• 分子量: 563.019
• InChiKey: LRBPWHRVEFOVRA-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• [EN] GLUCOSYLCERAMIDE SYNTHASE INHIBITORS<br/>[FR] INHIBITEURS DE LA GLUCOSYLCÉRAMIDE SYNTHASE
  申请人：EXELIXIS INC

  公开号：WO2010091104A1

  公开（公告）日：2010-08-12

  The present invention comprises glucosylceramide synthase (GCS) inhibitors of structural formula (I), and pharmaceutically acceptable salts thereof, wherein R1, E, A, L, X1, Q, R4, R5, m and n, are as defined herein, as well as N-oxides of them and pharmaceutically acceptable salts thereof. The invention further comprises composition comprising the compounds, N-oxides, and/or pharmaceutically acceptable salts thereof. The invention also comprises use of the compounds and compositions for treating diseases in which GCS is a mediator or is implicated. The invention also comprises use of the compounds in and for the manufacture of medicaments, particularly for treating diseases in which GCS is a mediator or is implicated.